2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoic acid

Systemtic Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoic acid Openeye Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetic acid CAS Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid IUPAC Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetic acid Traditional Name: 2-[7-but-2-ynyl-3-(2-ethoxyethyl)-2,6-diketo-8-piperazino-purin-1-yl]acetic acid Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOCCN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C19H26N6O5/c1-3-5-8-23-15-16(21-18(23)22-9-6-20-7-10-22)24(11-12-30-4-2)19(29)25(17(15)28)13-14(26)27/h20H,4,6-13H2,1-2H3,(H,26,27)